1-(3,5-dichloro-2-pyridinyl)-5-methyl-N-propylhexan-1-amine

C15H24Cl2N2 — CID 83161489

IUPAC1-(3,5-dichloro-2-pyridinyl)-5-methyl-N-propylhexan-1-amine
SMILESCCCNC(CCCC(C)C)c1ncc(Cl)cc1Cl
InChIInChI=1S/C15H24Cl2N2/c1-4-8-18-14(7-5-6-11(2)3)15-13(17)9-12(16)10-19-15/h9-11,14,18H,4-8H2,1-3H3
InChIKeyQSNCORPAUVNUNJ-UHFFFAOYSA-N
MW303.28 g/mol
LogP5.26
Rot. Bonds8

About 1-(3,5-dichloro-2-pyridinyl)-5-methyl-N-propylhexan-1-amine

1-(3,5-dichloro-2-pyridinyl)-5-methyl-N-propylhexan-1-amine (PubChem CID 83161489) has the molecular formula C15H24Cl2N2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-pyridinyl)-5-methyl-N-propylhexan-1-amine.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)-5-methyl-N-propylhexan-1-amine
PubChem CID83161489
Molecular FormulaC15H24Cl2N2
Molecular Weight303.28 g/mol
Exact Mass302.13
IUPAC Name1-(3,5-dichloro-2-pyridinyl)-5-methyl-N-propylhexan-1-amine
SMILESCCCNC(CCCC(C)C)c1ncc(Cl)cc1Cl
InChIInChI=1S/C15H24Cl2N2/c1-4-8-18-14(7-5-6-11(2)3)15-13(17)9-12(16)10-19-15/h9-11,14,18H,4-8H2,1-3H3
InChIKeyQSNCORPAUVNUNJ-UHFFFAOYSA-N
XLogP5.26
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.28
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dichloro-2-pyridinyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 115517384
N-[1-(3,5-dichloro-2-pyridinyl)-2-methoxyethyl]propan-1-amine
CID 79780092
N-[1-(3,5-dichloro-2-pyridinyl)-2-(4-fluorophenyl)ethyl]propan-1-amine
CID 79783884
N-[2-(4-bromothiophen-2-yl)-1-(3,5-dichloro-2-pyridinyl)ethyl]propan-1-amine
CID 79779913
1-(3,5-dichloro-2-pyridinyl)-N-ethylpropan-1-amine
CID 79781049
1-(5-chloro-2-methylphenyl)-5-methyl-N-propylhexan-1-amine
CID 105028577
[1-(3,5-dichloro-2-pyridinyl)-3-methylhexyl]hydrazine
CID 105248695
1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
CID 79780970
5-methyl-1-(5-methylpyrazin-2-yl)-N-propylhexan-1-amine
CID 105177042
3-cyclopropyl-1-(3,5-dichloro-2-pyridinyl)-N-ethylpropan-1-amine
CID 79780406
1-(2-bromo-4-chlorophenyl)-5-methyl-N-propylhexan-1-amine
CID 107994927
1-(3,5-dichloro-2-pyridinyl)-N-ethyl-3-methylsulfonylpropan-1-amine
CID 79780243

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-5-methyl-N-propylhexan-1-amine?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-5-methyl-N-propylhexan-1-amine (CID 83161489) is 1-(3,5-dichloro-2-pyridinyl)-5-methyl-N-propylhexan-1-amine.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)-5-methyl-N-propylhexan-1-amine?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)-5-methyl-N-propylhexan-1-amine is CCCNC(CCCC(C)C)c1ncc(Cl)cc1Cl.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)-5-methyl-N-propylhexan-1-amine?
The InChIKey is QSNCORPAUVNUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24Cl2N2/c1-4-8-18-14(7-5-6-11(2)3)15-13(17)9-12(16)10-19-15/h9-11,14,18H,4-8H2,1-3H3.
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)-5-methyl-N-propylhexan-1-amine?
1-(3,5-dichloro-2-pyridinyl)-5-methyl-N-propylhexan-1-amine has a molecular weight of 303.28 g/mol, XLogP of 5.26, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-pyridinyl)-5-methyl-N-propylhexan-1-amine is sourced from PubChem (CID 83161489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).